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CAS 352351-59-8 9-FLUORENYLMETHYL N-(3-AMINOPROPYL)CARBAMATE HYDROBROMIDE molecular structure lightbox
CAS RN: 352351-59-8

9-FLUORENYLMETHYL N-(3-AMINOPROPYL)CARBAMATE HYDROBROMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260411 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS352351-59-8
  • Purity/Analytical Methods: >99.0%
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352351-59-8 / 9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate;hydrobromide

Standard CAS: 352351-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352351-59-8
Multi CAS
No
Molecular Formula
BC18H21O2Rn2
Molecular Weight
377.300000
Exact Mass
376.078640
InChI
InChI=1S/C18H20N2O2.BrH/c19-10-5-11-20-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17;/h1-4,6-9,17H,5,10-12,19H2,(H,20,21);1H
InChIKey
OWAKRMILENXFGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
97.07
TPSA
64.35

LogP / Solubility

WLOGP
3.45
MLOGP
3.06
XLogP3
3.45
Consensus LogP
3.32
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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